N-[(2E,4Z)-5-[cyclopropyl(formyl)amino]penta-2,4-dien-2-yl]-2-[1-(methoxymethyl)-2-oxabicyclo[2.2.1]heptan-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide

C27H35N5O5 — CID 167142944

IUPACN-[(2E,4Z)-5-[cyclopropyl(formyl)amino]penta-2,4-dien-2-yl]-2-[1-(methoxymethyl)-2-oxabicyclo[2.2.1]heptan-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide
SMILESCOCC12CCC(c3cn4cc(C(=O)N/C(C)=C/C=C\N(C=O)C5CC5)c(OC(C)C)nc4n3)(CO1)C2
InChIInChI=1S/C27H35N5O5/c1-18(2)37-24-21(23(34)28-19(3)6-5-11-31(17-33)20-7-8-20)12-32-13-22(29-25(32)30-24)26-9-10-27(14-26,16-35-4)36-15-26/h5-6,11-13,17-18,20H,7-10,14-16H2,1-4H3,(H,28,34)/b11-5-,19-6+
InChIKeyLKSGYCAOJAQJTB-KRDOMJLVSA-N
MW509.61 g/mol
LogP3.12
Rot. Bonds11

About N-[(2E,4Z)-5-[cyclopropyl(formyl)amino]penta-2,4-dien-2-yl]-2-[1-(methoxymethyl)-2-oxabicyclo[2.2.1]heptan-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide

N-[(2E,4Z)-5-[cyclopropyl(formyl)amino]penta-2,4-dien-2-yl]-2-[1-(methoxymethyl)-2-oxabicyclo[2.2.1]heptan-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide (PubChem CID 167142944) has the molecular formula C27H35N5O5 and a molecular weight of 509.61 g/mol. Its IUPAC name is N-[(2E,4Z)-5-[cyclopropyl(formyl)amino]penta-2,4-dien-2-yl]-2-[1-(methoxymethyl)-2-oxabicyclo[2.2.1]heptan-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(2E,4Z)-5-[cyclopropyl(formyl)amino]penta-2,4-dien-2-yl]-2-[1-(methoxymethyl)-2-oxabicyclo[2.2.1]heptan-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide
PubChem CID167142944
Molecular FormulaC27H35N5O5
Molecular Weight509.61 g/mol
Exact Mass509.26
IUPAC NameN-[(2E,4Z)-5-[cyclopropyl(formyl)amino]penta-2,4-dien-2-yl]-2-[1-(methoxymethyl)-2-oxabicyclo[2.2.1]heptan-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide
SMILESCOCC12CCC(c3cn4cc(C(=O)N/C(C)=C/C=C\N(C=O)C5CC5)c(OC(C)C)nc4n3)(CO1)C2
InChIInChI=1S/C27H35N5O5/c1-18(2)37-24-21(23(34)28-19(3)6-5-11-31(17-33)20-7-8-20)12-32-13-22(29-25(32)30-24)26-9-10-27(14-26,16-35-4)36-15-26/h5-6,11-13,17-18,20H,7-10,14-16H2,1-4H3,(H,28,34)/b11-5-,19-6+
InChIKeyLKSGYCAOJAQJTB-KRDOMJLVSA-N
XLogP3.12
TPSA107.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.61
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[(2E,4Z)-5-[cyclopropyl(formyl)amino]penta-2,4-dien-2-yl]-2-[1-(methoxymethyl)-2-oxabicyclo[2.2.1]heptan-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2E,4Z)-5-[cyclopropyl(formyl)amino]penta-2,4-dien-2-yl]-2-[1-(methoxymethyl)-2-oxabicyclo[2.2.1]heptan-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[(2E,4Z)-5-[cyclopropyl(formyl)amino]penta-2,4-dien-2-yl]-2-[1-(methoxymethyl)-2-oxabicyclo[2.2.1]heptan-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide (CID 167142944) is N-[(2E,4Z)-5-[cyclopropyl(formyl)amino]penta-2,4-dien-2-yl]-2-[1-(methoxymethyl)-2-oxabicyclo[2.2.1]heptan-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(2E,4Z)-5-[cyclopropyl(formyl)amino]penta-2,4-dien-2-yl]-2-[1-(methoxymethyl)-2-oxabicyclo[2.2.1]heptan-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(2E,4Z)-5-[cyclopropyl(formyl)amino]penta-2,4-dien-2-yl]-2-[1-(methoxymethyl)-2-oxabicyclo[2.2.1]heptan-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide is COCC12CCC(c3cn4cc(C(=O)N/C(C)=C/C=C\N(C=O)C5CC5)c(OC(C)C)nc4n3)(CO1)C2.
What is the InChIKey of N-[(2E,4Z)-5-[cyclopropyl(formyl)amino]penta-2,4-dien-2-yl]-2-[1-(methoxymethyl)-2-oxabicyclo[2.2.1]heptan-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide?
The InChIKey is LKSGYCAOJAQJTB-KRDOMJLVSA-N. The full InChI is InChI=1S/C27H35N5O5/c1-18(2)37-24-21(23(34)28-19(3)6-5-11-31(17-33)20-7-8-20)12-32-13-22(29-25(32)30-24)26-9-10-27(14-26,16-35-4)36-15-26/h5-6,11-13,17-18,20H,7-10,14-16H2,1-4H3,(H,28,34)/b11-5-,19-6+.
What are the key properties of N-[(2E,4Z)-5-[cyclopropyl(formyl)amino]penta-2,4-dien-2-yl]-2-[1-(methoxymethyl)-2-oxabicyclo[2.2.1]heptan-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide?
N-[(2E,4Z)-5-[cyclopropyl(formyl)amino]penta-2,4-dien-2-yl]-2-[1-(methoxymethyl)-2-oxabicyclo[2.2.1]heptan-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide has a molecular weight of 509.61 g/mol, XLogP of 3.12, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z)-5-[cyclopropyl(formyl)amino]penta-2,4-dien-2-yl]-2-[1-(methoxymethyl)-2-oxabicyclo[2.2.1]heptan-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 167142944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).